MassBank Record: JP002785



 5-ETHYL-5-PHENYL-BARBITURIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002785
RECORD_TITLE: 5-ETHYL-5-PHENYL-BARBITURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ETHYL-5-PHENYL-BARBITURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H12N2O3 CH$EXACT_MASS: 232.08479 CH$SMILES: CCC(C(=O)2)(C(=O)NC(=O)N2)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-5970000000-7bda34bd3bb88b5fd9fd PK$NUM_PEAK: 109 PK$PEAK: m/z int. rel.int. 36 0.2 2 37 0.4 4 38 1.5 15 39 1.03 10 40 1.3 13 41 2.1 21 42 0.9 9 43 0.29 3 44 3.7 37 50 4.5 45 51 15.1 151 52 0.04 0 53 1.4 14 54 0.6 6 55 0.7 7 56 0.06 1 57 1.9 19 58 11.4 114 59 1.9 19 61 0.05 1 62 2.8 28 63 9.1 91 64 1.6 16 65 0.05 1 66 1.1 11 67 0.1 1 69 1 10 70 0.38 4 71 0.3 3 72 0.1 1 73 2.2 22 74 0.16 2 75 2.3 23 76 3.9 39 77 16.9 169 78 0.08 1 79 1 10 80 0.6 6 86 0.7 7 87 0.15 2 88 1.1 11 89 9.9 99 90 6 60 91 0.13 1 92 2 20 93 0.4 4 94 0.5 5 101 0.05 1 102 4.1 41 103 16.1 161 104 12.3 123 105 0.71 7 106 0.9 9 112 0.9 9 113 0.3 3 114 0.08 1 115 16.9 169 116 6.7 67 117 29.9 299 118 0.2 2 119 1.9 19 127 0.3 3 128 1.1 11 129 0.04 0 130 0.9 9 131 2.2 22 132 5 50 133 0.61 6 134 0.9 9 141 0.7 7 142 0.5 5 143 0.55 6 144 5.6 56 145 1.2 12 146 16.4 164 147 0.21 2 148 0.1 1 155 0.9 9 156 1.2 12 157 0.01 0 159 0.3 3 160 5.9 59 161 17.1 171 162 0.25 3 163 0.3 3 171 0.8 8 172 1.5 15 173 0.01 0 174 6.9 69 175 1.7 17 176 2.9 29 177 0.02 0 185 0.6 6 186 0.7 7 187 1.7 17 188 0.03 0 189 4.2 42 190 0.8 8 203 2.7 27 204 99.99 999 205 12 120 206 1.5 15 215 1.9 19 216 0.01 0 217 4.1 41 218 0.8 8 232 22.5 225 233 0.35 4 234 0.3 3 //